Mol:FL3FABGS0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 32 35 0 0 0 0 0 0 0 0999 V2000 -0.4867 0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4867 -0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0356 -0.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4154 -0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4154 0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0356 0.3259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8665 -0.7158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3176 -0.4553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3176 0.0655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8665 0.3259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8665 -1.1218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7685 0.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2282 0.0604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6879 0.3258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6879 0.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2282 1.1221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7685 0.8567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9376 0.3258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0356 -1.1221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5738 0.1792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0582 -0.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3157 -0.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5992 -0.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1198 0.3158 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8783 0.0434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3392 1.0545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8620 -0.5406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8370 0.5797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7851 -0.7433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4697 0.6781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1475 1.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8620 0.7095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 9 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 12 1 0 0 0 0 1 18 1 0 0 0 0 19 3 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 25 28 1 0 0 0 0 22 29 1 0 0 0 0 28 30 1 0 0 0 0 23 18 1 0 0 0 0 15 31 1 0 0 0 0 31 32 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 31 32 M SBL 1 1 34 M SMT 1 OCH3 M SBV 1 34 -5.3194 3.5675 S SKP 8 ID FL3FABGS0002 KNApSAcK_ID C00004202 NAME Acacetin 7-galactoside CAS_RN 35013-09-3 FORMULA C22H22O10 EXACTMASS 446.121296924 AVERAGEMASS 446.40408 SMILES C(C1O)(C(C(OC1Oc(c4)cc(c(c4O)3)OC(=CC3=O)c(c2)ccc(OC)c2)CO)O)O M END